Geometry & MOs

Info

ID:	137496
PubChem CID:	52214499
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	23.73
Dipole, Da:	8.65
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2-benzylpyrazol-3-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C

DOS

IR

Vibrations